Project name: 1cfe9248987a567

Status: done

Started: 2026-02-22 05:24:44
Settings
Chain sequence(s) A: PLEPRRREVCELNP
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)
Show buried residues

Minimal score value
-4.1031
Maximal score value
0.6157
Average score
-1.2644
Total score value
-17.7013

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
1 P A 0.0761
2 L A 0.2348
3 E A -1.6995
4 P A -2.2262
5 R A -3.5272
6 R A -4.1031
7 R A -3.6887
8 E A -2.0909
9 V A 0.6157
10 C A 0.4793
11 E A -0.6188
12 L A 0.3463
13 N A -0.9640
14 P A -0.5351
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Laboratory of Theory of Biopolymers 2018